Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 14/20 | 0.55 |
| ▸ | PDE3B | Q13370 | 7/20 | 0.55 |
| ▸ | PDE3A | Q14432 | 7/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | USP2 | O75604 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | PDE2A | O00408 | 1/20 | 0.55 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.55 |
| ▸ | PDE5A | O76074 | 1/20 | 0.55 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.55 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL10705145 | 0.83 | PDE10A (0.56) | PDE10APDE3BPDE3ACYP3A4ALDH1A1 | |
| SCHEMBL11001937 | 0.80 | PDE10A (0.55) | PDE10APDE3BPDE3ACYP3A4ALDH1A1 | |
| Methane SCHEMBL10994504 | 0.79 | PDE10A (0.60) | PDE10APDE3BPDE3ACYP3A4ALDH1A1 | |
| SCHEMBL10704822 | 0.77 | DPP4 (0.64) | PDE10APDE3BPDE3ACYP3A4ALDH1A1 | |
| SCHEMBL10998093 | 0.77 | PDE10A (0.62) | PDE10APDE3BPDE3ACYP3A4ALDH1A1 | |
| SCHEMBL11003403 | 0.77 | DPP4 (0.70) | PDE10APDE3BPDE3ACYP3A4ALDH1A1 | |
| Papaverine SCHEMBL28508832 | 0.76 | PDE10A (0.85) | PDE10APDE3BPDE3ACYP3A4ALDH1A1 | |
| SCHEMBL10703325 | 0.75 | PDE10A (0.59) | PDE10APDE3BPDE3ACYP3A4ALDH1A1 | |
| Papaverine SCHEMBL5162401 | 0.72 | PDE10A (0.77) | PDE10APDE3BPDE3ACYP3A4ALDH1A1 | |
| SCHEMBL11123812 | 0.72 | CYP3A4 (0.48) | PDE10APDE3BPDE3ACYP3A4ALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0126480-B1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES, METHOD FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1988-01-20 | — | — | EP | disclosed |
| EP-0126480-A1 | Substituted isoquinoline derivatives, method for their preparation, and pharmaceutical compositions containing these compounds | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1984-11-28 | — | — | EP | disclosed |